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Home > Fluorides > 137529-41-0
137529-41-0 | 1,1'-Biphenyl, 3,4,5-trifluoro-4'-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS No: 137529-41-0 Catalog No: AG0013HM MDL No:MFCD13188632
Product Description
Catalog Number:
AG0013HM
Chemical Name:
1,1'-Biphenyl, 3,4,5-trifluoro-4'-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS Number:
137529-41-0
Molecular Formula:
C27H33F3
Molecular Weight:
414.5461
MDL Number:
MFCD13188632
IUPAC Name:
1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
InChI:
InChI=1S/C27H33F3/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-25(28)27(30)26(29)17-24/h12-21H,2-11H2,1H3
InChI Key:
LQRASBADJFXRBP-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1cc(F)c(c(c1)F)F
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.253g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.556g/mol
Monoisotopic Mass:
414.253g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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